#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vil n GLU 2 N 0.00 0.00 0.04 5.55 0.28 -1.26 -4.99 120.64 120.26 2vil n GLU 2 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2vil n GLU 2 Cb 0.00 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.10 2vil n GLU 2 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2vil n LEU 3 N 0.00 0.16 -4.80 -1.84 -0.00 -1.26 -4.56 117.00 104.71 2vil n LEU 3 Ca 0.00 0.56 -0.34 0.00 -0.00 0.00 0.00 56.01 56.24 2vil n LEU 3 Cb 0.00 -0.57 -0.02 0.00 -0.00 0.00 0.00 43.42 42.83 2vil n LEU 3 CO 0.00 -0.52 0.72 -0.94 -0.00 0.00 0.00 177.39 176.64 2vil s SER 4 N -3.30 6.20 0.00 1.45 1.04 -1.26 -2.15 113.70 115.68 2vil s SER 4 Ca 0.02 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.35 2vil s SER 4 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2vil s SER 4 CO 0.14 -0.88 0.00 1.17 0.98 0.00 0.00 173.24 174.65 2vil n LYS 5 N -1.23 0.00 0.02 4.02 4.81 -1.26 -4.27 118.16 120.25 2vil n LYS 5 Ca 0.09 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.58 2vil n LYS 5 Cb 0.53 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.78 2vil n LYS 5 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2vil n LYS 6 N 0.00 0.03 0.00 1.64 5.02 -1.26 -1.97 118.16 121.62 2vil n LYS 6 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2vil n LYS 6 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2vil n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2vil n VAL 7 N -1.62 0.00 0.23 -0.18 0.31 -0.91 -4.72 118.33 111.44 2vil n VAL 7 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.50 2vil n VAL 7 Cb 0.09 -0.75 0.65 0.00 -0.91 0.00 0.00 33.84 32.91 2vil n VAL 7 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2vil h THR 8 N 0.00 0.10 -0.97 2.52 1.35 -1.72 -1.10 112.91 113.08 2vil h THR 8 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.18 2vil h THR 8 Cb 0.00 0.51 -0.16 0.00 -1.73 0.00 0.00 68.15 66.77 2vil h THR 8 CO 0.00 0.00 0.40 1.23 -0.25 0.00 0.00 175.52 176.90 2vil h GLY 9 N 0.00 1.85 0.00 5.82 0.00 -1.68 -3.39 103.07 105.66 2vil h GLY 9 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2vil h GLY 9 CO -0.00 -0.57 0.00 0.28 0.00 0.00 0.00 176.54 176.25 2vil n LYS 10 N -5.22 0.00 0.00 4.80 5.02 -0.59 -5.08 118.16 117.09 2vil n LYS 10 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2vil n LYS 10 Cb 0.97 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 2vil n LYS 10 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2vil n LEU 11 N -1.30 0.00 -4.45 -0.35 4.77 -0.52 -4.17 117.00 110.98 2vil n LEU 11 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2vil n LEU 11 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2vil n LEU 11 CO 0.00 0.00 0.81 -1.81 -1.33 0.00 0.00 177.39 175.06 2vil s ASP 12 N -4.00 6.27 0.00 -1.43 1.01 -1.26 -4.79 116.67 112.46 2vil s ASP 12 Ca 0.00 -1.21 0.22 0.00 0.71 0.00 0.00 52.55 52.27 2vil s ASP 12 Cb 0.00 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2vil s ASP 12 CO 0.00 -1.37 1.06 0.29 0.21 0.00 0.00 175.17 175.36 2vil n LYS 13 N 7.50 1.30 -2.70 8.23 5.02 -1.26 -4.58 118.16 131.67 2vil n LYS 13 Ca 0.02 -0.99 -0.07 0.00 -2.02 0.00 0.00 58.31 55.26 2vil n LYS 13 Cb 0.46 -1.45 0.12 0.00 -0.02 0.00 0.00 35.03 34.14 2vil n LYS 13 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2vil n THR 14 N -0.01 0.00 -3.34 -0.18 -2.24 -1.26 -5.00 114.28 102.24 2vil n THR 14 Ca 0.09 -1.47 -0.10 0.00 -2.27 0.00 0.00 64.05 60.30 2vil n THR 14 Cb 0.45 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 2vil n THR 14 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vil s THR 15 N 0.20 -0.59 -1.07 4.28 2.01 -1.26 -5.08 115.64 114.13 2vil s THR 15 Ca 0.21 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 2vil s THR 15 Cb 0.40 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 72.03 2vil s THR 15 CO -0.09 -0.22 1.69 -2.16 -0.69 0.00 0.00 174.62 173.15 2vil s PRO 16 N 2.52 3.30 0.00 4.92 0.04 -1.26 -4.60 135.00 139.91 2vil s PRO 16 Ca 0.11 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.04 2vil s PRO 16 Cb -0.14 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.08 2vil s PRO 16 CO -0.23 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.51 2vil n GLY 17 N 6.44 1.81 3.51 0.56 0.00 -1.00 -4.98 105.19 111.54 2vil n GLY 17 Ca 0.39 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 2vil n GLY 17 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vil s ILE 18 N 1.24 -0.00 -0.23 -0.61 -4.36 -1.26 -1.70 121.20 114.27 2vil s ILE 18 Ca 0.00 0.01 0.02 0.00 -0.26 0.00 0.00 60.65 60.42 2vil s ILE 18 Cb 0.00 -0.84 0.04 0.00 1.25 0.00 0.00 42.46 42.91 2vil s ILE 18 CO 0.00 0.00 -0.14 -1.58 0.24 0.00 0.00 174.94 173.47 2vil s GLN 19 N 0.59 2.55 0.72 0.37 0.74 -0.55 -4.84 119.66 119.24 2vil s GLN 19 Ca -0.02 -1.14 -0.03 0.00 0.05 0.00 0.00 55.36 54.22 2vil s GLN 19 Cb -0.05 -2.79 0.12 0.00 1.10 0.00 0.00 33.01 31.39 2vil s GLN 19 CO -0.03 -0.43 1.00 0.42 -0.55 0.00 0.00 175.29 175.70 2vil s ILE 20 N 1.18 2.21 -0.07 -2.34 1.01 -0.57 -1.52 121.20 121.10 2vil s ILE 20 Ca -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 2vil s ILE 20 Cb -0.17 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.62 2vil s ILE 20 CO -0.08 0.00 0.02 0.26 0.00 0.00 0.00 174.94 175.15 2vil s TRP 21 N -3.19 0.48 0.01 3.97 0.51 0.23 -0.17 118.94 120.79 2vil s TRP 21 Ca 0.65 -0.07 -0.30 0.00 -2.12 0.00 0.00 56.10 54.26 2vil s TRP 21 Cb -0.06 -0.71 -0.04 0.00 -0.81 0.00 0.00 33.47 31.85 2vil s TRP 21 CO 0.45 -0.30 1.01 0.50 -0.51 0.00 0.00 176.95 178.09 2vil s ARG 22 N 2.04 4.55 -0.46 4.98 3.52 0.20 -1.92 118.95 131.86 2vil s ARG 22 Ca 0.05 1.47 -0.00 0.00 -0.13 0.00 0.00 55.73 57.12 2vil s ARG 22 Cb -0.13 -3.44 0.39 0.00 -1.56 0.00 0.00 34.95 30.21 2vil s ARG 22 CO -0.05 -0.07 1.94 -0.89 -0.81 0.00 0.00 175.30 175.42 2vil n ILE 23 N 3.85 3.08 -1.43 4.11 2.08 -0.16 0.13 119.36 131.01 2vil n ILE 23 Ca 0.06 -2.08 -0.39 0.00 0.56 0.00 0.00 62.75 60.90 2vil n ILE 23 Cb 0.50 -1.06 0.03 0.00 -0.75 0.00 0.00 39.64 38.36 2vil n ILE 23 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2vil n GLU 24 N -0.44 0.44 -2.14 0.38 2.13 -1.08 -0.25 120.64 119.69 2vil n GLU 24 Ca 0.47 0.17 -0.05 0.00 0.66 0.00 0.00 57.16 58.41 2vil n GLU 24 Cb 0.84 -1.57 -0.01 0.00 0.27 0.00 0.00 31.44 30.97 2vil n GLU 24 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2vil n ASN 25 N 0.92 -1.85 -2.93 4.31 6.94 -1.26 0.41 115.26 121.80 2vil n ASN 25 Ca 0.11 0.32 -0.13 0.00 -0.02 0.00 0.00 54.58 54.85 2vil n ASN 25 Cb 0.46 -1.75 0.07 0.00 -2.36 0.00 0.00 39.78 36.20 2vil n ASN 25 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2vil n MET 26 N -2.28 -4.73 -3.66 -3.83 2.81 0.66 -5.02 117.12 101.06 2vil n MET 26 Ca -0.05 0.68 -0.08 0.00 -1.81 0.00 0.00 57.70 56.44 2vil n MET 26 Cb 0.44 -5.14 -0.09 0.00 -0.71 0.00 0.00 33.22 27.72 2vil n MET 26 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2vil s GLU 27 N -4.93 0.40 0.49 0.03 2.02 0.17 -5.07 118.70 111.81 2vil s GLU 27 Ca 0.06 1.06 -0.23 0.00 0.02 0.00 0.00 54.97 55.88 2vil s GLU 27 Cb -0.01 0.33 -0.08 0.00 0.10 0.00 0.00 34.13 34.48 2vil s GLU 27 CO 0.58 -0.22 1.20 -1.33 0.02 0.00 0.00 175.26 175.51 2vil n MET 28 N 5.11 1.58 -3.76 1.61 2.81 -1.26 -2.62 117.12 120.59 2vil n MET 28 Ca -0.13 0.58 -0.13 0.00 -1.81 0.00 0.00 57.70 56.20 2vil n MET 28 Cb 0.51 -2.34 -0.09 0.00 -0.71 0.00 0.00 33.22 30.59 2vil n MET 28 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2vil s VAL 29 N -1.29 0.06 -0.29 2.03 1.01 0.35 -4.15 120.40 118.11 2vil s VAL 29 Ca 0.67 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 2vil s VAL 29 Cb -0.47 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 2vil s VAL 29 CO 0.53 -0.26 1.46 -2.16 0.00 0.00 0.00 175.10 174.68 2vil s PRO 30 N -1.33 3.78 -0.60 2.72 0.04 -1.26 0.60 135.00 138.95 2vil s PRO 30 Ca -0.14 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.22 2vil s PRO 30 Cb -0.05 -3.98 0.16 0.00 0.04 0.00 0.00 34.50 30.67 2vil s PRO 30 CO 0.04 -1.30 0.43 0.08 0.04 0.00 0.00 177.00 176.29 2vil s VAL 31 N 5.00 3.83 0.00 -0.36 1.01 0.76 -4.76 120.40 125.87 2vil s VAL 31 Ca 0.64 -2.74 0.00 0.00 0.00 0.00 0.00 61.98 59.88 2vil s VAL 31 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2vil s VAL 31 CO 0.27 -0.86 0.00 -0.81 0.00 0.00 0.00 175.10 173.71 2vil n PRO 32 N 3.75 1.63 0.19 2.72 -0.04 -1.26 -1.51 135.00 140.49 2vil n PRO 32 Ca 0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2vil n PRO 32 Cb 0.39 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.12 2vil n PRO 32 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2vil h THR 33 N -0.09 0.55 -0.06 0.52 1.35 -1.95 -1.97 112.91 111.27 2vil h THR 33 Ca 0.00 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 2vil h THR 33 Cb 0.00 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2vil h THR 33 CO 0.00 0.27 0.00 2.29 -0.25 0.00 0.00 175.52 177.83 2vil n LYS 34 N -3.27 1.15 0.00 4.72 2.85 -1.26 -3.98 118.16 118.36 2vil n LYS 34 Ca 0.01 -0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2vil n LYS 34 Cb 0.55 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 2vil n LYS 34 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2vil n SER 35 N -0.39 1.09 -4.20 -5.58 7.64 -1.06 -5.07 113.62 106.04 2vil n SER 35 Ca 0.06 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 2vil n SER 35 Cb 0.08 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.34 2vil n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vil n TYR 36 N -2.47 -3.36 0.00 1.43 4.11 -0.76 -3.53 117.16 112.58 2vil n TYR 36 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 2vil n TYR 36 Cb 0.29 -1.62 0.00 0.00 -0.00 0.00 0.00 39.34 38.02 2vil n TYR 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2vil n GLY 37 N 2.59 3.24 2.90 -7.48 0.00 -1.26 -4.97 105.19 100.20 2vil n GLY 37 Ca 0.03 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 2vil n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vil s ASN 38 N 0.00 4.28 -0.21 1.61 -0.87 -1.23 -0.93 114.94 117.59 2vil s ASN 38 Ca 0.00 -2.52 -0.03 0.00 -1.57 0.00 0.00 52.86 48.74 2vil s ASN 38 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 41.25 39.80 2vil s ASN 38 CO 0.00 -0.30 -0.07 0.72 -2.57 0.00 0.00 177.10 174.88 2vil s PHE 39 N 0.42 2.93 0.04 2.20 -0.12 -1.00 -4.64 117.98 117.80 2vil s PHE 39 Ca 0.14 -0.99 -0.36 0.00 -0.05 0.00 0.00 56.93 55.67 2vil s PHE 39 Cb -0.23 -2.06 -0.19 0.00 -0.63 0.00 0.00 43.02 39.92 2vil s PHE 39 CO -0.05 -0.54 0.93 0.66 -0.05 0.00 0.00 175.22 176.17 2vil n TYR 40 N 4.64 0.41 -1.84 3.49 4.01 -1.26 -3.38 117.16 123.23 2vil n TYR 40 Ca -0.19 1.01 -0.36 0.00 -0.16 0.00 0.00 57.90 58.21 2vil n TYR 40 Cb 0.51 -2.00 -0.02 0.00 -0.31 0.00 0.00 39.34 37.52 2vil n TYR 40 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2vil n GLU 41 N 1.36 3.90 -2.45 -0.72 0.28 -0.72 -4.10 120.64 118.18 2vil n GLU 41 Ca 0.19 -3.13 -0.03 0.00 -0.16 0.00 0.00 57.16 54.03 2vil n GLU 41 Cb 0.11 -2.46 -0.01 0.00 1.43 0.00 0.00 31.44 30.51 2vil n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2vil n GLY 42 N 1.39 -0.68 0.00 -1.84 0.00 -1.25 -4.77 105.19 98.03 2vil n GLY 42 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2vil n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vil n ASP 43 N -0.46 0.00 -3.76 1.61 9.92 0.90 -4.07 116.55 120.68 2vil n ASP 43 Ca -0.22 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.91 2vil n ASP 43 Cb 0.63 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.01 2vil n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2vil s TYR 45 N -0.54 -0.06 -0.16 0.00 1.51 -0.46 -0.99 117.35 116.66 2vil s TYR 45 Ca -0.06 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 2vil s TYR 45 Cb -0.04 -0.50 -0.00 0.00 -0.11 0.00 0.00 41.96 41.31 2vil s TYR 45 CO 0.02 -0.52 1.03 0.08 -1.11 0.00 0.00 175.55 175.05 2vil s VAL 46 N 2.24 4.71 -0.20 0.71 1.01 -0.81 -1.48 120.40 126.59 2vil s VAL 46 Ca 0.04 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.01 2vil s VAL 46 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2vil s VAL 46 CO -0.10 -0.08 -0.07 -0.22 0.00 0.00 0.00 175.10 174.63 2vil s LEU 47 N 2.55 2.81 -0.36 3.92 0.20 -0.85 0.78 118.68 127.72 2vil s LEU 47 Ca 0.47 -0.39 -0.09 0.00 0.69 0.00 0.00 54.13 54.81 2vil s LEU 47 Cb -0.17 -1.69 0.04 0.00 -0.43 0.00 0.00 46.19 43.93 2vil s LEU 47 CO 0.13 0.02 0.16 -0.22 -0.29 0.00 0.00 176.35 176.15 2vil s LEU 48 N 1.21 4.54 -0.15 -0.68 2.96 -0.57 -0.10 118.68 125.89 2vil s LEU 48 Ca 0.02 -1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 52.74 2vil s LEU 48 Cb -0.14 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2vil s LEU 48 CO -0.02 -0.36 0.21 -0.55 -1.32 0.00 0.00 176.35 174.30 2vil s SER 49 N 1.49 6.39 0.01 3.68 0.15 -0.72 -1.48 113.70 123.22 2vil s SER 49 Ca 0.00 0.45 0.05 0.00 0.70 0.00 0.00 55.95 57.15 2vil s SER 49 Cb -0.19 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2vil s SER 49 CO 0.05 0.24 -0.15 -0.89 1.20 0.00 0.00 173.24 173.69 2vil s THR 50 N -0.15 1.15 0.04 6.45 2.01 -0.69 -0.01 115.64 124.44 2vil s THR 50 Ca 0.14 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 2vil s THR 50 Cb -0.12 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 2vil s THR 50 CO 0.03 0.19 -0.03 -0.60 -0.69 0.00 0.00 174.62 173.52 2vil s ARG 51 N -0.70 0.53 0.71 4.92 3.52 -0.45 -2.36 118.95 125.11 2vil s ARG 51 Ca 0.04 -1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 54.49 2vil s ARG 51 Cb -0.07 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2vil s ARG 51 CO 0.00 -0.10 1.07 -1.59 -0.81 0.00 0.00 175.30 173.87 2vil s LYS 52 N -3.21 2.83 0.11 5.12 0.00 -1.26 -0.89 119.74 122.43 2vil s LYS 52 Ca 0.00 0.99 -0.02 0.00 0.00 0.00 0.00 55.97 56.94 2vil s LYS 52 Cb 0.03 -1.97 0.01 0.00 0.00 0.00 0.00 37.83 35.89 2vil s LYS 52 CO -0.07 -1.19 0.18 0.25 0.00 0.00 0.00 175.35 174.52 2vil n THR 53 N -3.18 0.00 0.01 3.79 -2.24 -0.17 -4.73 114.28 107.76 2vil n THR 53 Ca 0.08 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 2vil n THR 53 Cb 0.53 0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.92 2vil n THR 53 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2vil h GLY 54 N 0.56 0.21 1.73 3.38 0.00 -1.97 -3.35 103.07 103.63 2vil h GLY 54 Ca -0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 2vil h GLY 54 CO 0.11 0.47 -0.75 0.23 0.00 0.00 0.00 176.54 176.60 2vil h SER 55 N 0.05 0.00 0.00 0.19 0.87 -2.02 -3.49 113.55 109.15 2vil h SER 55 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2vil h SER 55 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2vil h SER 55 CO 0.11 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 177.54 2vil n GLY 56 N 1.27 -0.53 3.70 5.77 0.00 -1.26 -5.14 105.19 109.00 2vil n GLY 56 Ca -0.01 0.32 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 2vil n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vil s PHE 57 N 0.00 2.59 -0.22 1.61 0.40 -1.26 -0.99 117.98 120.10 2vil s PHE 57 Ca 0.00 -0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 55.74 2vil s PHE 57 Cb 0.00 -1.85 0.07 0.00 0.51 0.00 0.00 43.02 41.74 2vil s PHE 57 CO 0.00 0.27 0.05 0.45 0.70 0.00 0.00 175.22 176.69 2vil s SER 58 N -3.85 3.19 0.55 1.36 0.15 -0.07 -4.85 113.70 110.17 2vil s SER 58 Ca 0.39 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2vil s SER 58 Cb 0.04 -0.66 0.03 0.00 -1.71 0.00 0.00 66.02 63.72 2vil s SER 58 CO 0.21 -0.33 0.78 -0.31 1.20 0.00 0.00 173.24 174.80 2vil s TYR 59 N 1.80 2.93 -0.43 3.44 1.51 -1.26 -1.34 117.35 124.01 2vil s TYR 59 Ca 0.01 0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.22 2vil s TYR 59 Cb -0.17 -2.72 0.18 0.00 -0.11 0.00 0.00 41.96 39.14 2vil s TYR 59 CO -0.12 -0.83 0.62 -0.80 -1.11 0.00 0.00 175.55 173.31 2vil s ASN 60 N -4.40 -1.29 0.20 2.29 -0.87 0.99 -2.96 114.94 108.90 2vil s ASN 60 Ca 0.56 -1.02 -0.30 0.00 -1.57 0.00 0.00 52.86 50.53 2vil s ASN 60 Cb -0.10 1.83 -0.08 0.00 -0.02 0.00 0.00 41.25 42.88 2vil s ASN 60 CO 0.39 -0.16 1.05 -0.63 -2.57 0.00 0.00 177.10 175.19 2vil s ILE 61 N 1.64 3.92 0.23 0.60 1.01 0.81 -1.76 121.20 127.64 2vil s ILE 61 Ca 0.19 1.73 0.09 0.00 0.00 0.00 0.00 60.65 62.67 2vil s ILE 61 Cb -0.04 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2vil s ILE 61 CO -0.06 0.34 -0.17 -1.00 0.00 0.00 0.00 174.94 174.04 2vil s HIS 62 N -0.53 1.95 -0.32 3.97 3.76 0.86 -0.64 115.29 124.34 2vil s HIS 62 Ca 0.47 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2vil s HIS 62 Cb -0.28 -0.89 0.10 0.00 1.11 0.00 0.00 32.58 32.62 2vil s HIS 62 CO 0.35 0.49 0.12 1.52 -0.85 0.00 0.00 174.74 176.37 2vil s TYR 63 N -2.68 1.47 0.09 1.40 -0.85 -0.83 -2.01 117.35 113.94 2vil s TYR 63 Ca 0.25 -1.66 -0.30 0.00 -0.52 0.00 0.00 57.07 54.84 2vil s TYR 63 Cb -0.03 -1.57 -0.06 0.00 0.38 0.00 0.00 41.96 40.69 2vil s TYR 63 CO 0.10 -0.86 1.07 -0.46 -1.52 0.00 0.00 175.55 173.88 2vil s TRP 64 N 1.56 3.61 -0.68 -3.49 -0.00 -0.55 -2.33 118.94 117.06 2vil s TRP 64 Ca 0.11 1.58 0.04 0.00 -0.00 0.00 0.00 56.10 57.83 2vil s TRP 64 Cb -0.18 -3.23 0.30 0.00 -0.00 0.00 0.00 33.47 30.36 2vil s TRP 64 CO -0.24 -0.48 0.98 1.28 -0.00 0.00 0.00 176.95 178.49 2vil n LEU 65 N 3.20 4.58 -4.52 5.86 7.99 -0.25 -1.35 117.00 132.51 2vil n LEU 65 Ca 0.05 -5.53 -0.22 0.00 -0.01 0.00 0.00 56.01 50.30 2vil n LEU 65 Cb 0.48 -0.71 -0.18 0.00 -0.11 0.00 0.00 43.42 42.90 2vil n LEU 65 CO 0.53 2.16 1.90 0.61 -1.51 0.00 0.00 177.39 181.08 2vil n GLY 66 N 0.35 -0.40 3.40 -0.72 0.00 0.39 -3.51 105.19 104.70 2vil n GLY 66 Ca 0.31 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 46.31 2vil n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vil n LYS 67 N 6.69 0.00 0.00 1.61 3.00 -1.26 -0.07 118.16 128.13 2vil n LYS 67 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 2vil n LYS 67 Cb 0.21 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.20 2vil n LYS 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2vil n ASN 68 N 6.01 0.00 -3.80 3.14 4.13 -1.26 -4.78 115.26 118.69 2vil n ASN 68 Ca 0.66 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.92 2vil n ASN 68 Cb 0.12 0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 2vil n ASN 68 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2vil n SER 69 N -1.82 0.00 -2.90 6.41 3.41 -1.25 -4.98 113.62 112.50 2vil n SER 69 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2vil n SER 69 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2vil n SER 69 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vil n SER 70 N 0.00 2.13 0.13 4.04 3.41 -1.26 -4.98 113.62 117.09 2vil n SER 70 Ca 0.00 -1.90 0.05 0.00 -0.26 0.00 0.00 58.87 56.77 2vil n SER 70 Cb 0.00 0.22 0.50 0.00 -0.26 0.00 0.00 64.21 64.67 2vil n SER 70 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2vil h GLN 71 N 0.00 0.26 -0.29 4.33 7.50 -2.00 -2.27 115.11 122.64 2vil h GLN 71 Ca -0.16 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 58.89 2vil h GLN 71 Cb 0.51 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 2vil h GLN 71 CO 0.26 0.22 -0.12 0.38 -1.50 0.00 0.00 178.83 178.07 2vil h ASP 72 N 0.26 0.61 -0.76 1.46 2.03 -1.97 -2.09 116.42 115.95 2vil h ASP 72 Ca 0.07 -0.40 0.05 0.00 -0.73 0.00 0.00 57.03 56.02 2vil h ASP 72 Cb 0.06 -0.17 -0.05 0.00 -0.83 0.00 0.00 39.33 38.35 2vil h ASP 72 CO -0.01 0.87 0.50 -0.33 -1.03 0.00 0.00 179.24 179.25 2vil h GLU 73 N 0.35 0.83 -0.18 4.15 3.07 -1.80 0.47 114.58 121.47 2vil h GLU 73 Ca 0.07 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 2vil h GLU 73 Cb 0.63 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2vil h GLU 73 CO 0.04 0.55 -0.14 0.37 -1.40 0.00 0.00 179.01 178.43 2vil h GLN 74 N 0.86 0.29 0.00 2.33 4.15 -1.14 -0.31 115.11 121.29 2vil h GLN 74 Ca 0.32 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2vil h GLN 74 Cb 0.18 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2vil h GLN 74 CO -0.10 0.44 -0.20 0.41 -1.93 0.00 0.00 178.83 177.45 2vil n GLY 75 N -0.79 -1.44 0.08 2.39 0.00 0.12 -2.04 105.19 103.51 2vil n GLY 75 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 2vil n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vil h ALA 76 N 2.91 0.12 -0.17 4.61 0.00 0.14 -2.24 119.26 124.62 2vil h ALA 76 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 53.97 2vil h ALA 76 Cb 0.55 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2vil h ALA 76 CO 0.00 0.39 -0.60 0.00 0.00 0.00 0.00 179.25 179.03 2vil h ALA 77 N -0.47 0.63 -0.31 0.00 0.00 -1.45 -1.87 119.26 115.78 2vil h ALA 77 Ca -0.15 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 2vil h ALA 77 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2vil h ALA 77 CO -0.09 0.70 -0.44 0.00 0.00 0.00 0.00 179.25 179.42 2vil h ALA 78 N 0.91 0.64 -0.27 0.00 0.00 -1.58 -2.26 119.26 116.70 2vil h ALA 78 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2vil h ALA 78 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2vil h ALA 78 CO 0.11 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.82 2vil h ILE 79 N 0.64 1.27 -0.18 0.00 5.03 -1.32 -0.52 117.51 122.43 2vil h ILE 79 Ca 0.04 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.77 2vil h ILE 79 Cb 1.01 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 36.17 2vil h ILE 79 CO 0.10 0.32 0.12 1.88 -0.68 0.00 0.00 178.15 179.89 2vil h TYR 80 N 0.28 0.22 0.00 1.37 -1.99 -1.29 0.17 116.97 115.72 2vil h TYR 80 Ca 0.07 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.70 2vil h TYR 80 Cb 0.49 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 2vil h TYR 80 CO 0.04 0.14 -0.50 1.15 -0.00 0.00 0.00 178.16 178.99 2vil h THR 81 N 0.23 1.07 0.08 -2.88 2.02 -0.87 -2.67 112.91 109.88 2vil h THR 81 Ca 0.07 -1.94 -0.00 0.00 0.77 0.00 0.00 66.41 65.31 2vil h THR 81 Cb -0.01 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2vil h THR 81 CO -0.01 0.49 -0.04 0.74 0.37 0.00 0.00 175.52 177.07 2vil h THR 82 N 0.00 1.05 -0.65 3.16 2.02 0.96 -2.50 112.91 116.94 2vil h THR 82 Ca -0.01 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 2vil h THR 82 Cb 1.10 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2vil h THR 82 CO 0.07 0.11 0.12 1.56 0.37 0.00 0.00 175.52 177.74 2vil h GLN 83 N -0.30 1.05 -0.26 6.66 4.20 -1.48 -2.00 115.11 122.99 2vil h GLN 83 Ca -0.01 -0.27 0.08 0.00 0.06 0.00 0.00 58.65 58.51 2vil h GLN 83 Cb 0.26 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2vil h GLN 83 CO 0.02 0.96 0.22 0.52 -0.67 0.00 0.00 178.83 179.87 2vil h MET 84 N 0.99 0.00 0.15 1.46 2.86 -1.31 0.67 114.93 119.75 2vil h MET 84 Ca 0.20 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.54 2vil h MET 84 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2vil h MET 84 CO 0.01 0.00 -1.38 0.22 1.06 0.00 0.00 176.91 176.82 2vil h ASP 85 N 0.00 0.49 0.09 1.22 1.82 -0.92 -2.31 116.42 116.81 2vil h ASP 85 Ca 0.12 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 2vil h ASP 85 Cb 0.56 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2vil h ASP 85 CO -0.00 1.45 -0.02 -0.62 -1.61 0.00 0.00 179.24 178.44 2vil n GLU 86 N -3.54 1.07 -0.05 0.28 1.02 -0.34 -2.06 120.64 117.01 2vil n GLU 86 Ca -0.12 -0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 56.70 2vil n GLU 86 Cb 1.04 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.88 2vil n GLU 86 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2vil n TYR 87 N -0.74 0.00 0.95 -0.32 4.02 0.08 -4.38 117.16 116.77 2vil n TYR 87 Ca 0.21 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.19 2vil n TYR 87 Cb 0.20 -0.55 0.49 0.00 -0.02 0.00 0.00 39.34 39.46 2vil n TYR 87 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2vil n LEU 88 N -2.41 0.00 0.00 7.72 4.77 -0.87 -4.79 117.00 121.42 2vil n LEU 88 Ca -0.18 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2vil n LEU 88 Cb 0.85 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2vil n LEU 88 CO 0.24 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2vil n GLY 89 N 0.22 1.14 2.74 -0.72 0.00 -1.25 -4.10 105.19 103.22 2vil n GLY 89 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 2vil n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2vil n SER 90 N 0.10 -5.27 0.04 1.61 2.88 -0.88 -4.80 113.62 107.31 2vil n SER 90 Ca 0.00 0.03 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 2vil n SER 90 Cb 0.00 -2.86 -0.09 0.00 -0.75 0.00 0.00 64.21 60.51 2vil n SER 90 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2vil h VAL 91 N 0.00 0.95 -3.98 2.46 -1.51 -1.79 -3.46 116.25 108.92 2vil h VAL 91 Ca -0.02 -2.59 -0.45 0.00 -1.23 0.00 0.00 66.70 62.42 2vil h VAL 91 Cb 0.78 2.41 0.15 0.00 -2.13 0.00 0.00 31.29 32.50 2vil h VAL 91 CO 0.03 0.54 0.25 0.00 -1.23 0.00 0.00 177.57 177.17 2vil s ALA 92 N -2.78 1.37 0.46 5.19 0.00 -1.26 -4.08 121.76 120.67 2vil s ALA 92 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2vil s ALA 92 Cb 0.09 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2vil s ALA 92 CO 0.81 -2.71 0.06 0.08 0.00 0.00 0.00 175.76 174.00 2vil s VAL 93 N -3.21 0.89 -0.07 0.00 1.01 -1.15 -4.86 120.40 113.01 2vil s VAL 93 Ca 0.67 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.68 2vil s VAL 93 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2vil s VAL 93 CO 0.55 0.00 -0.18 -1.58 0.00 0.00 0.00 175.10 173.89 2vil s GLN 94 N -3.79 2.17 0.12 2.72 0.74 -1.25 -0.13 119.66 120.24 2vil s GLN 94 Ca 0.14 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 55.00 2vil s GLN 94 Cb 0.02 -1.75 -0.04 0.00 1.10 0.00 0.00 33.01 32.34 2vil s GLN 94 CO 0.09 0.15 -0.19 -1.01 -0.55 0.00 0.00 175.29 173.78 2vil s HIS 95 N 0.35 1.71 -0.15 1.67 3.76 0.18 -4.96 115.29 117.86 2vil s HIS 95 Ca -0.12 -0.45 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 2vil s HIS 95 Cb -0.15 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 2vil s HIS 95 CO 0.05 0.23 -0.05 0.50 -0.85 0.00 0.00 174.74 174.61 2vil s ARG 96 N -2.25 3.59 0.12 1.40 3.52 -1.26 -1.97 118.95 122.10 2vil s ARG 96 Ca 0.09 -0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 55.12 2vil s ARG 96 Cb -0.08 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 2vil s ARG 96 CO 0.05 0.26 0.10 -1.21 -0.81 0.00 0.00 175.30 173.69 2vil s GLU 97 N 0.29 0.91 0.00 5.12 8.01 -0.98 -4.80 118.70 127.25 2vil s GLU 97 Ca -0.04 -1.31 0.00 0.00 0.01 0.00 0.00 54.97 53.63 2vil s GLU 97 Cb -0.14 0.27 0.00 0.00 -4.31 0.00 0.00 34.13 29.95 2vil s GLU 97 CO 0.03 -0.27 0.00 0.28 0.01 0.00 0.00 175.26 175.31 2vil n VAL 98 N -0.08 0.00 1.87 2.63 0.31 -1.26 -1.09 118.33 120.71 2vil n VAL 98 Ca -0.08 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.33 2vil n VAL 98 Cb 0.63 0.00 0.48 0.00 -0.91 0.00 0.00 33.84 34.04 2vil n VAL 98 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2vil n GLN 99 N 0.00 0.93 -0.64 5.55 -0.06 -1.23 -3.22 117.38 118.72 2vil n GLN 99 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 2vil n GLN 99 Cb 0.00 -1.27 -0.01 0.00 -4.06 0.00 0.00 30.24 24.90 2vil n GLN 99 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2vil n GLY 100 N 0.67 0.82 0.00 1.69 0.00 -1.26 -4.89 105.19 102.22 2vil n GLY 100 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2vil n GLY 100 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vil n HIS 101 N 0.03 0.00 -0.15 1.61 8.25 -1.20 -4.68 115.22 119.08 2vil n HIS 101 Ca -0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 2vil n HIS 101 Cb 0.61 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.81 2vil n HIS 101 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2vil n GLU 102 N -1.04 1.64 0.00 -0.41 0.00 -1.22 -4.55 120.64 115.05 2vil n GLU 102 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 57.16 55.64 2vil n GLU 102 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.84 2vil n GLU 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2vil n SER 103 N -0.32 0.00 -0.15 -1.84 3.41 -1.26 -1.60 113.62 111.86 2vil n SER 103 Ca 0.30 0.00 0.25 0.00 -0.26 0.00 0.00 58.87 59.16 2vil n SER 103 Cb 1.08 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 65.41 2vil n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vil n GLU 104 N 0.00 0.02 0.09 4.33 1.02 -1.26 -1.44 120.64 123.40 2vil n GLU 104 Ca 0.00 1.01 -0.04 0.00 -0.02 0.00 0.00 57.16 58.11 2vil n GLU 104 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 31.44 28.86 2vil n GLU 104 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2vil h THR 105 N 0.00 0.00 -0.16 2.62 2.02 -1.87 0.37 112.91 115.89 2vil h THR 105 Ca 0.44 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.35 2vil h THR 105 Cb 2.83 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 2vil h THR 105 CO -0.00 0.00 -0.06 0.15 0.37 0.00 0.00 175.52 175.98 2vil h PHE 106 N -0.57 -0.13 0.00 3.16 3.57 -0.24 0.82 116.94 123.55 2vil h PHE 106 Ca -0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2vil h PHE 106 Cb 0.21 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2vil h PHE 106 CO 0.05 -0.09 -0.07 -0.09 -2.23 0.00 0.00 178.31 175.87 2vil h ARG 107 N -0.03 0.00 -0.65 1.11 2.43 -1.41 -0.36 114.38 115.47 2vil h ARG 107 Ca 0.08 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2vil h ARG 107 Cb 0.15 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2vil h ARG 107 CO -0.18 0.07 0.43 0.00 -1.51 0.00 0.00 179.97 178.78 2vil h ALA 108 N 1.93 1.62 0.00 2.80 0.00 0.22 0.64 119.26 126.47 2vil h ALA 108 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2vil h ALA 108 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2vil h ALA 108 CO 0.01 0.31 -0.53 0.66 0.00 0.00 0.00 179.25 179.70 2vil n TYR 109 N -4.46 0.36 -3.77 0.00 4.01 -0.26 -4.60 117.16 108.44 2vil n TYR 109 Ca 0.08 0.10 -0.36 0.00 -0.16 0.00 0.00 57.90 57.56 2vil n TYR 109 Cb 0.11 -0.53 -0.11 0.00 -0.31 0.00 0.00 39.34 38.51 2vil n TYR 109 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2vil s PHE 110 N -3.10 3.53 -1.15 -0.72 0.08 0.22 -4.93 117.98 111.90 2vil s PHE 110 Ca 0.08 -2.54 -0.22 0.00 0.12 0.00 0.00 56.93 54.38 2vil s PHE 110 Cb 0.15 -3.20 -0.02 0.00 -0.57 0.00 0.00 43.02 39.38 2vil s PHE 110 CO 0.70 -0.93 1.82 0.15 -0.10 0.00 0.00 175.22 176.86 2vil s LYS 111 N 0.74 3.08 -0.04 0.44 -0.14 -1.25 -4.10 119.74 118.47 2vil s LYS 111 Ca 0.11 -1.26 -0.01 0.00 -1.36 0.00 0.00 55.97 53.45 2vil s LYS 111 Cb -0.22 -5.32 0.00 0.00 -1.68 0.00 0.00 37.83 30.62 2vil s LYS 111 CO -0.04 -3.16 0.05 0.94 -0.76 0.00 0.00 175.35 172.38 2vil n GLN 112 N 8.49 -0.17 0.00 1.68 7.27 -1.26 -5.06 117.38 128.33 2vil n GLN 112 Ca 0.44 0.62 0.00 0.00 0.07 0.00 0.00 57.00 58.12 2vil n GLN 112 Cb 0.47 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.30 2vil n GLN 112 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vil n GLY 113 N -0.57 -1.85 2.64 1.69 0.00 -1.26 -5.07 105.19 100.77 2vil n GLY 113 Ca 0.01 0.82 -0.23 0.00 0.00 0.00 0.00 46.02 46.61 2vil n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vil n LEU 114 N 0.00 3.46 -4.89 0.99 7.99 -1.26 -4.43 117.00 118.86 2vil n LEU 114 Ca 0.00 -5.18 -0.29 0.00 -0.01 0.00 0.00 56.01 50.53 2vil n LEU 114 Cb 0.00 -0.16 0.05 0.00 -0.11 0.00 0.00 43.42 43.20 2vil n LEU 114 CO 0.00 2.21 0.71 -0.63 -1.51 0.00 0.00 177.39 178.17 2vil s ILE 115 N -4.20 3.23 -0.22 -0.08 1.01 -0.11 -4.99 121.20 115.84 2vil s ILE 115 Ca 0.44 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 2vil s ILE 115 Cb 0.35 -3.38 0.10 0.00 0.01 0.00 0.00 42.46 39.54 2vil s ILE 115 CO -0.12 -0.47 0.24 -0.31 0.00 0.00 0.00 174.94 174.27 2vil s TYR 116 N -3.32 -0.30 0.00 3.97 2.02 -1.26 -2.37 117.35 116.10 2vil s TYR 116 Ca 0.58 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 2vil s TYR 116 Cb -0.11 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 2vil s TYR 116 CO 0.50 -0.67 0.00 1.63 -1.57 0.00 0.00 175.55 175.43 2vil n LYS 117 N 5.32 0.40 -2.73 -0.62 4.76 -1.22 -4.39 118.16 119.68 2vil n LYS 117 Ca -0.05 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.11 2vil n LYS 117 Cb 0.49 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.66 2vil n LYS 117 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2vil s GLN 118 N -1.74 3.62 0.00 1.97 -1.52 -1.26 -1.75 119.66 118.98 2vil s GLN 118 Ca 0.00 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.69 2vil s GLN 118 Cb 0.00 -2.39 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 2vil s GLN 118 CO 0.00 -0.13 0.00 0.41 -0.25 0.00 0.00 175.29 175.32 2vil n GLY 119 N -1.90 1.25 3.56 3.09 0.00 -1.26 -4.62 105.19 105.31 2vil n GLY 119 Ca 0.01 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 2vil n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vil n GLY 120 N 5.00 -0.77 0.27 -0.02 0.00 -1.26 -4.78 105.19 103.62 2vil n GLY 120 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 46.02 46.92 2vil n GLY 120 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2vil n VAL 121 N -1.51 0.16 0.00 1.61 3.14 -1.26 -4.19 118.33 116.28 2vil n VAL 121 Ca -0.18 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2vil n VAL 121 Cb 0.66 0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 2vil n VAL 121 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vil n ALA 122 N -0.14 -0.12 -0.98 1.55 0.00 -1.26 -4.89 120.51 114.67 2vil n ALA 122 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2vil n ALA 122 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2vil n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2vil n SER 123 N -1.84 -4.41 -0.66 0.00 7.64 -1.26 -4.60 113.62 108.50 2vil n SER 123 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2vil n SER 123 Cb 0.00 -2.16 -0.03 0.00 -1.01 0.00 0.00 64.21 61.01 2vil n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vil n GLY 124 N -0.80 0.29 2.03 0.23 0.00 -1.26 -5.03 105.19 100.65 2vil n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vil n GLY 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vil n MET 125 N 0.00 0.00 0.00 1.61 2.81 -1.26 -5.28 117.12 115.00 2vil n MET 125 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2vil n MET 125 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 2vil n MET 125 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84